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Substance Name: 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 8-butyl-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-
RN: 99442-64-5
InChIKey: HBJYMKZEYBFWQO-JXFKEZNVSA-N

Molecular Formula

  • C21-H31-N3-O2

Molecular Weight

  • 357.495
 
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Names and Synonyms

  • 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 8-butyl-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-

Registry Numbers

CAS Registry Number

  • 99442-64-5

System Generated Number

  • 0099442645

Structure Descriptors

InChI

1S/C21H31N3O2/c1-5-6-10-24-12-15-11-16(13-25)22-21(26)20(14(2)3)23(4)17-8-7-9-18(24)19(15)17/h7-9,12,14,16,20,25H,5-6,10-11,13H2,1-4H3,(H,22,26)/t16-,20-/m0/s1

InChIKey

HBJYMKZEYBFWQO-JXFKEZNVSA-N

Smiles

N1([C@H](C(N[C@@H](Cc2c3c1cccc3n(c2)CCCC)CO)=O)C(C)C)C